In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[(4-cyanophenyl)methyl]-N-ethyl-2-methyl-piperidine-2-carboxamide (2S)-1-[(4-cyanophenyl)methyl]-N…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.32 | 7.81 | -40.03 | 2 | 4 | 1 | 57 | 286.399 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 5.76 | -9.09 | 1 | 4 | 0 | 56 | 285.391 | 4 | ↓ |